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190058-85-6 | Boronic acid, [4-[(1-oxopropyl)amino]phenyl]- (9CI)
CAS No: 190058-85-6 Catalog No: AG002E9Z MDL No:MFCD24552973
Product Description
Catalog Number:
AG002E9Z
Chemical Name:
Boronic acid, [4-[(1-oxopropyl)amino]phenyl]- (9CI)
CAS Number:
190058-85-6
Molecular Formula:
C9H12BNO3
Molecular Weight:
193.0075
MDL Number:
MFCD24552973
IUPAC Name:
[4-(propanoylamino)phenyl]boronic acid
InChI:
InChI=1S/C9H12BNO3/c1-2-9(12)11-8-5-3-7(4-6-8)10(13)14/h3-6,13-14H,2H2,1H3,(H,11,12)
InChI Key:
GFMJBBAAKDKKCC-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1ccc(cc1)B(O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.009g/mol
Monoisotopic Mass:
193.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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